Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1932807-60-7 / benzyl (3S)-3-hydroxyazepane-1-carboxylate
Basic Information
CAS
1932807-60-7
Multi CAS
No
Molecular Formula
C14H19NO3
Molecular Weight
249.300000
Exact Mass
249.136493
SMILES
C1CCN(C[C@H](C1)O)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H19NO3/c16-13-8-4-5-9-15(10-13)14(17)18-11-12-6-2-1-3-7-12/h1-3,6-7,13,16H,4-5,8-11H2/t13-/m0/s1
InChIKey
ADANQYYHJVOFNG-ZDUSSCGKSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.06
TPSA
49.77
LogP / Solubility
WLOGP
2.17
MLOGP
1.92
XLogP3
1.8
Consensus LogP
1.96
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
1,4-Oxazepine-3,4(5H)-dicarboxylic acid, tetrahydro-, 4-(1,1-dimethylethyl) ester, (3S)-
- CAS RN: 1932812-70-8
- Product Code: SSC-090710
-
4H-Pyrrolo[3,2-d]pyrimidin-4-one, 1-[[2-[(1R)-1-aminoethyl]-4-chlorophenyl]methyl]-1,2,3,5-tetrahydro-2-thioxo-
- CAS RN: 1933460-19-5
- Product Code: starshine_CAS1933460-19-5
- Purity/Analytical method: >99.0%
-
1H-Pyrazole-4-carboxamide, N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1(2H)-pyridinyl)methyl]phenyl]methyl]-
- CAS RN: 1933514-13-6
- Product Code: starshine_CAS1933514-13-6
- Purity/Analytical method: >99.0%
-
-
4-[6-(1-Oxoheptyl)imidazo[1,2-a]pyridin-8-yl]benzeneacetic acid
- CAS RN: 1933533-18-6
- Product Code: starshine_CAS1933533-18-6
- Purity/Analytical method: >99.0%
-
[4,7-Bis(4-formylphenylethynyl)benzo[c][1,2,5]thiadiazole]
- CAS RN: 1933562-00-5
- Product Code: starshine_CAS1933562-00-5
- Purity/Analytical method: >99.0%
![CAS 1933460-19-5 4H-Pyrrolo[3,2-d]pyrimidin-4-one, 1-[[2-[(1R)-1-aminoethyl]-4-chlorophenyl]methyl]-1,2,3,5-tetrahydro-2-thioxo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1933460-19-5.gif)
![CAS 1933514-13-6 1H-Pyrazole-4-carboxamide, N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1(2H)-pyridinyl)methyl]phenyl]methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1933514-13-6.gif)
![CAS 1933533-18-6 4-[6-(1-Oxoheptyl)imidazo[1,2-a]pyridin-8-yl]benzeneacetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1933533-18-6.gif)
![CAS 1933562-00-5 [4,7-Bis(4-formylphenylethynyl)benzo[c][1,2,5]thiadiazole] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1933562-00-5.gif)